CAS RN: 20440-93-1
Tris(4-nitrophenyl)amine
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251112 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shandong, Shanghai | 5-7 business days | Inquiry |
- Product code: SSC-096169
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g, 1000g
- Available purity: >97%
- Inventory rows with stock: 10
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Shanghai | Inquiry |
| 1g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 5g | -- | 5 In Stock | Shanghai | Inquiry |
| 5g | >97% | 5 In Stock | Shanghai | Inquiry |
| 10g | -- | 5 In Stock | Beijing | Inquiry |
| 10g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 25g | -- | 5 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 5 In Stock | Shanghai | Inquiry |
| 100g | -- | 5 In Stock | Hong Kong | Inquiry |
| 100g | >97% | 5 In Stock | Beijing | Inquiry |
| 500g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 500g | >97% | 0 Out of Stock | Shanghai | Inquiry |
| 1000g | -- | 0 Out of Stock | Shanghai | Inquiry |
20440-93-1 / 4-nitro-N,N-bis(4-nitrophenyl)aniline
Basic Information
CAS
20440-93-1
Multi CAS
No
Molecular Formula
C18H12N4O6
Molecular Weight
380.300000
Exact Mass
380.075684
SMILES
C1=CC(=CC=C1N(C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C18H12N4O6/c23-20(24)16-7-1-13(2-8-16)19(14-3-9-17(10-4-14)21(25)26)15-5-11-18(12-6-15)22(27)28/h1-12H
InChIKey
LSNJBIDKQIRWRQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
18
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
101.09
TPSA
132.66
LogP / Solubility
WLOGP
4.88
MLOGP
4.32
XLogP3
4.6
Consensus LogP
4.6
Log S (ESOL)
-5.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.9
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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